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Home > Nitro Compounds > 872611-39-7
872611-39-7 | Ethanone, 1-(2-acetyl-4-nitrophenyl)-2-hydroxy-
CAS No: 872611-39-7 Catalog No: AG004J3M MDL No:
Product Description
Catalog Number:
AG004J3M
Chemical Name:
Ethanone, 1-(2-acetyl-4-nitrophenyl)-2-hydroxy-
CAS Number:
872611-39-7
Molecular Formula:
C10H9NO5
Molecular Weight:
223.1822
IUPAC Name:
1-(2-acetyl-4-nitrophenyl)-2-hydroxyethanone
InChI:
InChI=1S/C10H9NO5/c1-6(13)9-4-7(11(15)16)2-3-8(9)10(14)5-12/h2-4,12H,5H2,1H3
InChI Key:
ZPZYJLCJFQFZQN-UHFFFAOYSA-N
SMILES:
OCC(=O)c1ccc(cc1C(=O)C)[N+](=O)[O-]
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.184g/mol
Monoisotopic Mass:
223.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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